BA2R7D
-OEChem-04012116042D
31 33 0 0 0 0 0 0 0999 V2000
6.9473 -0.5804 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0309 -0.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3673 -2.2244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 1.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5309 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2579 1.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0254 -0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6241 -1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2333 -1.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1135 0.4364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4232 0.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8472 1.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4505 2.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6686 2.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4402 -0.2855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0177 -1.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7997 -1.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 10 1 0 0 0 0
2 19 1 0 0 0 0
2 31 1 0 0 0 0
3 19 2 0 0 0 0
4 9 1 0 0 0 0
4 16 1 0 0 0 0
4 17 1 0 0 0 0
5 17 2 0 0 0 0
5 18 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
6 12 1 0 0 0 0
7 9 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 20 1 0 0 0 0
9 21 1 0 0 0 0
10 13 1 0 0 0 0
11 14 2 0 0 0 0
11 22 1 0 0 0 0
12 23 1 0 0 0 0
12 24 1 0 0 0 0
12 25 1 0 0 0 0
13 15 2 0 0 0 0
13 26 1 0 0 0 0
14 15 1 0 0 0 0
14 19 1 0 0 0 0
15 27 1 0 0 0 0
16 18 2 0 0 0 0
16 28 1 0 0 0 0
17 29 1 0 0 0 0
18 30 1 0 0 0 0
M END
$$$$